Information card for entry 7032910

Structure parameters

• Formula: C44 H60 N8 O2 Zr
• Calculated formula: C44 H60 N8 O2 Zr
• SMILES: [Zr]12(Oc3c(n4[n]1c1ccccc1n4)cc(cc3C(C)(C)C)C(C)(C)C)(Oc1c(n3[n]2c2ccccc2n3)cc(cc1C(C)(C)C)C(C)(C)C)(N(C)C)N(C)C
• Title of publication: Facilely synthesized benzotriazole phenolate zirconium complexes as versatile catalysts for copolymerization of carbon dioxide with cyclohexene oxide and lactide polymerization.
• Authors of publication: Chuang, Hui-Ju; Ko, Bao-Tsan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 2
• Pages of publication: 598 - 607
• a: 10.755 ± 0.0003 Å
• b: 13.5703 ± 0.0005 Å
• c: 15.8579 ± 0.0006 Å
• α: 105.254 ± 0.003°
• β: 93.273 ± 0.003°
• γ: 99.663 ± 0.003°
• Cell volume: 2188.71 ± 0.14 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0539
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.0836
• Weighted residual factors for all reflections included in the refinement: 0.0899
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No